Abstract

Nontargeted LC-MS metabolomics datasets contain a wealth of information but present many challenges during analysis and processing. Often, two or more independently processed datasets must be aligned to form a complete dataset, but no available software meets our needs. For this, we have created an open-source Python package called Eclipse. Eclipse uses a novel graph-based subalignment approach to handle complex matching scenarios that arise from n>2 datasets. Eclipse is open source (https://github.com/broadinstitute/bmxp) and can be installed via "pip install bmxp".